2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-pentan-3-ylamino]ethanol

C13H18ClF3N2O — CID 102715711

IUPAC2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)c1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C13H18ClF3N2O/c1-3-10(4-2)19(5-6-20)12-8-9(13(15,16)17)7-11(14)18-12/h7-8,10,20H,3-6H2,1-2H3
InChIKeyYQMNFNCWFVRMDU-UHFFFAOYSA-N
MW310.75 g/mol
LogP3.74
Rot. Bonds6

About 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-pentan-3-ylamino]ethanol

2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-pentan-3-ylamino]ethanol (PubChem CID 102715711) has the molecular formula C13H18ClF3N2O and a molecular weight of 310.75 g/mol. Its IUPAC name is 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-pentan-3-ylamino]ethanol.

Molecular Properties

Compound Name2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-pentan-3-ylamino]ethanol
PubChem CID102715711
Molecular FormulaC13H18ClF3N2O
Molecular Weight310.75 g/mol
Exact Mass310.11
IUPAC Name2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)c1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C13H18ClF3N2O/c1-3-10(4-2)19(5-6-20)12-8-9(13(15,16)17)7-11(14)18-12/h7-8,10,20H,3-6H2,1-2H3
InChIKeyYQMNFNCWFVRMDU-UHFFFAOYSA-N
XLogP3.74
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.75
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-pentan-3-ylamino]ethanol with MolForge

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Related Compounds

6-chloro-N-methyl-N-(2-methylbutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715487
N-butan-2-yl-6-chloro-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102715484
2-[(2,6-dimethylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 54999005
6-chloro-N-propyl-N-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102715736
2-[(6-amino-2-propan-2-ylpyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 80961040
2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
CID 80810928
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-ethylamino]-N-propan-2-ylacetamide
CID 102715690
2-[(5-methylpyridazin-3-yl)-pentan-3-ylamino]ethanol
CID 106550364
4-[2-hydroxyethyl(pentan-3-yl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136979604
1-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-methylamino]-3-methoxypropan-2-ol
CID 102715710
2-[[2-amino-6-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
CID 80810065
6-chloro-N-(4-ethylphenyl)-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 102715792

Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-pentan-3-ylamino]ethanol?
The IUPAC name of 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-pentan-3-ylamino]ethanol (CID 102715711) is 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-pentan-3-ylamino]ethanol.
What is the SMILES notation for 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-pentan-3-ylamino]ethanol?
The canonical SMILES for 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-pentan-3-ylamino]ethanol is CCC(CC)N(CCO)c1cc(C(F)(F)F)cc(Cl)n1.
What is the InChIKey of 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-pentan-3-ylamino]ethanol?
The InChIKey is YQMNFNCWFVRMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClF3N2O/c1-3-10(4-2)19(5-6-20)12-8-9(13(15,16)17)7-11(14)18-12/h7-8,10,20H,3-6H2,1-2H3.
What are the key properties of 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-pentan-3-ylamino]ethanol?
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-pentan-3-ylamino]ethanol has a molecular weight of 310.75 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-pentan-3-ylamino]ethanol is sourced from PubChem (CID 102715711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).